2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide

C14H13BrClNO2S — CID 35508307

IUPAC2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(Br)c1
InChIInChI=1S/C14H13BrClNO2S/c1-9-3-6-14(12(15)7-9)20(18,19)17-13-8-11(16)5-4-10(13)2/h3-8,17H,1-2H3
InChIKeyJMZXKODABHMYAY-UHFFFAOYSA-N
MW374.69 g/mol
LogP4.52
Rot. Bonds3

About 2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide

2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide (PubChem CID 35508307) has the molecular formula C14H13BrClNO2S and a molecular weight of 374.69 g/mol. Its IUPAC name is 2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
PubChem CID35508307
Molecular FormulaC14H13BrClNO2S
Molecular Weight374.69 g/mol
Exact Mass372.95
IUPAC Name2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(Br)c1
InChIInChI=1S/C14H13BrClNO2S/c1-9-3-6-14(12(15)7-9)20(18,19)17-13-8-11(16)5-4-10(13)2/h3-8,17H,1-2H3
InChIKeyJMZXKODABHMYAY-UHFFFAOYSA-N
XLogP4.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2,5-dimethylphenyl)-2-methylbenzenesulfonamide
CID 47308842
3-bromo-4-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 78851015
2-bromo-N-(5-bromo-4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 107593575
2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 39833794
2-bromo-N-(4-bromo-2,3-dichlorophenyl)-4-methylbenzenesulfonamide
CID 107792937
4-bromo-N-(2,5-dimethylphenyl)-2,5-dimethylbenzenesulfonamide
CID 146095930
5-bromo-N-(2,5-dichlorophenyl)-2-methylbenzenesulfonamide
CID 60661381
5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 106031168
2-bromo-4-methyl-N-(2-methyl-5-prop-2-enylsulfonylphenyl)benzenesulfonamide
CID 35532972
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate
CID 55353794
4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid
CID 71845669

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide?
The IUPAC name of 2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide (CID 35508307) is 2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(Br)c1.
What is the InChIKey of 2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide?
The InChIKey is JMZXKODABHMYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2S/c1-9-3-6-14(12(15)7-9)20(18,19)17-13-8-11(16)5-4-10(13)2/h3-8,17H,1-2H3.
What are the key properties of 2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide?
2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide has a molecular weight of 374.69 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 35508307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).